(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide

C11H15N3O2 — CID 32704805

IUPAC(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)NC(N)=O)c1
InChIInChI=1S/C11H15N3O2/c1-7-4-3-5-9(6-7)14-10(15)8(2)13-11(12)16/h3-6,8H,1-2H3,(H,14,15)(H3,12,13,16)/t8-/m0/s1
InChIKeyWTZDNBGNZLDZRS-QMMMGPOBSA-N
MW221.26 g/mol
LogP0.99
Rot. Bonds3

About (2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide

(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide (PubChem CID 32704805) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
PubChem CID32704805
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)NC(N)=O)c1
InChIInChI=1S/C11H15N3O2/c1-7-4-3-5-9(6-7)14-10(15)8(2)13-11(12)16/h3-6,8H,1-2H3,(H,14,15)(H3,12,13,16)/t8-/m0/s1
InChIKeyWTZDNBGNZLDZRS-QMMMGPOBSA-N
XLogP0.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 74646045
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46747357
(2S)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957050
N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957051
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide (CID 32704805) is (2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@H](C)NC(N)=O)c1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide?
The InChIKey is WTZDNBGNZLDZRS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-4-3-5-9(6-7)14-10(15)8(2)13-11(12)16/h3-6,8H,1-2H3,(H,14,15)(H3,12,13,16)/t8-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide?
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide has a molecular weight of 221.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 32704805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).